6,6-difluoro-N-methylhexan-3-amine

C7H15F2N — CID 91253840

IUPAC6,6-difluoro-N-methylhexan-3-amine
SMILESCCC(CCC(F)F)NC
InChIInChI=1S/C7H15F2N/c1-3-6(10-2)4-5-7(8)9/h6-7,10H,3-5H2,1-2H3
InChIKeyRVUJXEXJDYQJGO-UHFFFAOYSA-N
MW151.20 g/mol
LogP2.03
Rot. Bonds5

About 6,6-difluoro-N-methylhexan-3-amine

6,6-difluoro-N-methylhexan-3-amine (PubChem CID 91253840) has the molecular formula C7H15F2N and a molecular weight of 151.20 g/mol. Its IUPAC name is 6,6-difluoro-N-methylhexan-3-amine.

Molecular Properties

Compound Name6,6-difluoro-N-methylhexan-3-amine
PubChem CID91253840
Molecular FormulaC7H15F2N
Molecular Weight151.20 g/mol
Exact Mass151.12
IUPAC Name6,6-difluoro-N-methylhexan-3-amine
SMILESCCC(CCC(F)F)NC
InChIInChI=1S/C7H15F2N/c1-3-6(10-2)4-5-7(8)9/h6-7,10H,3-5H2,1-2H3
InChIKeyRVUJXEXJDYQJGO-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-N-methylhexan-3-amine?
The IUPAC name of 6,6-difluoro-N-methylhexan-3-amine (CID 91253840) is 6,6-difluoro-N-methylhexan-3-amine.
What is the SMILES notation for 6,6-difluoro-N-methylhexan-3-amine?
The canonical SMILES for 6,6-difluoro-N-methylhexan-3-amine is CCC(CCC(F)F)NC.
What is the InChIKey of 6,6-difluoro-N-methylhexan-3-amine?
The InChIKey is RVUJXEXJDYQJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N/c1-3-6(10-2)4-5-7(8)9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 6,6-difluoro-N-methylhexan-3-amine?
6,6-difluoro-N-methylhexan-3-amine has a molecular weight of 151.20 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-N-methylhexan-3-amine is sourced from PubChem (CID 91253840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).